BDBM93547 MLS002471463::SMR001395129::[3-[[[1-isopropyl-6-[(1R)-1-methylolpropoxy]benzimidazol-4-yl]amino]methyl]phenyl]ammonium::[3-[[[6-[(2R)-1-hydroxybutan-2-yl]oxy-1-propan-2-yl-4-benzimidazolyl]amino]methyl]phenyl]ammonium::[3-[[[6-[(2R)-1-hydroxybutan-2-yl]oxy-1-propan-2-ylbenzimidazol-4-yl]amino]methyl]phenyl]azanium::[3-[[[6-[(2R)-1-oxidanylbutan-2-yl]oxy-1-propan-2-yl-benzimidazol-4-yl]amino]methyl]phenyl]azanium::cid_53299363

SMILES: CC[C@H](CO)Oc1cc(NCc2cccc([NH3+])c2)c2ncn(C(C)C)c2c1

InChI Key: InChIKey=HNCBDJHKSPAOEH-QGZVFWFLSA-O

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 93547   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM93547 (MLS002471463 | SMR001395129 | [3-[[[1-isopropyl-6-...) Show SMILES CC[C@H](CO)Oc1cc(NCc2cccc([NH3+])c2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C21H28N4O2/c1-4-17(12-26)27-18-9-19(23-11-15-6-5-7-16(22)8-15)21-20(10-18)25(13-24-21)14(2)3/h5-10,13-14,17,23,26H,4,11-12,22H2,1-3H3/p+1/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2930RSV
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM93547 (MLS002471463 | SMR001395129 | [3-[[[1-isopropyl-6-...) Show SMILES CC[C@H](CO)Oc1cc(NCc2cccc([NH3+])c2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C21H28N4O2/c1-4-17(12-26)27-18-9-19(23-11-15-6-5-7-16(22)8-15)21-20(10-18)25(13-24-21)14(2)3/h5-10,13-14,17,23,26H,4,11-12,22H2,1-3H3/p+1/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM93547 (MLS002471463 | SMR001395129 | [3-[[[1-isopropyl-6-...) Show SMILES CC[C@H](CO)Oc1cc(NCc2cccc([NH3+])c2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C21H28N4O2/c1-4-17(12-26)27-18-9-19(23-11-15-6-5-7-16(22)8-15)21-20(10-18)25(13-24-21)14(2)3/h5-10,13-14,17,23,26H,4,11-12,22H2,1-3H3/p+1/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ
					More data for this Ligand-Target Pair